3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide

C104H146N16O45 — CID 140594375

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide (PubChem CID 140594375) has the molecular formula C104H146N16O45 and a molecular weight of 2340.38 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide
• PubChem CID: 140594375
• Molecular Formula: C104H146N16O45
• Molecular Weight: 2340.38 g/mol
• Exact Mass: 2338.96
• IUPAC Name: 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide
• SMILES: O=C(CCN1C(=O)C=CC1=O)NCCOCCOCC(COCC(COCC(COCC(COCC(COCC(COOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O
• InChI: InChI=1S/C104H146N16O45/c121-81(17-33-113-89(129)1-2-90(113)130)105-25-41-145-49-50-152-63-75(158-57-51-146-42-26-106-82(122)18-34-114-91(131)3-4-92(114)132)64-153-65-76(159-58-52-147-43-27-107-83(123)19-35-115-93(133)5-6-94(115)134)66-154-67-77(160-59-53-148-44-28-108-84(124)20-36-116-95(135)7-8-96(116)136)68-155-69-78(161-60-54-149-45-29-109-85(125)21-37-117-97(137)9-10-98(117)138)70-156-71-79(162-61-55-150-46-30-110-86(126)22-38-118-99(139)11-12-100(118)140)72-157-73-80(74-165-164-48-32-112-88(128)24-40-120-103(143)15-16-104(120)144)163-62-56-151-47-31-111-87(127)23-39-119-101(141)13-14-102(119)142/h1-16,75-80H,17-74H2,(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,109,125)(H,110,126)(H,111,127)(H,112,128)
• InChIKey: XKHZKVYMUKJGEX-UHFFFAOYSA-N
• XLogP: -9.09
• TPSA: 725.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 100
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2340.38
LogP ≤ 5	-9.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide (CID 140594375) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCCOCCOCC(COCC(COCC(COCC(COCC(COCC(COOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O)OCCOCCNC(=O)CCN1C(=O)C=CC1=O.

What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide?

The InChIKey is XKHZKVYMUKJGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H146N16O45/c121-81(17-33-113-89(129)1-2-90(113)130)105-25-41-145-49-50-152-63-75(158-57-51-146-42-26-106-82(122)18-34-114-91(131)3-4-92(114)132)64-153-65-76(159-58-52-147-43-27-107-83(123)19-35-115-93(133)5-6-94(115)134)66-154-67-77(160-59-53-148-44-28-108-84(124)20-36-116-95(135)7-8-96(116)136)68-155-69-78(161-60-54-149-45-29-109-85(125)21-37-117-97(137)9-10-98(117)138)70-156-71-79(162-61-55-150-46-30-110-86(126)22-38-118-99(139)11-12-100(118)140)72-157-73-80(74-165-164-48-32-112-88(128)24-40-120-103(143)15-16-104(120)144)163-62-56-151-47-31-111-87(127)23-39-119-101(141)13-14-102(119)142/h1-16,75-80H,17-74H2,(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,109,125)(H,110,126)(H,111,127)(H,112,128).

What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide?

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide has a molecular weight of 2340.38 g/mol, XLogP of -9.09, 100 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylperoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 140594375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).